Sugi Predict

Sugi Predict / Compounds / SCHEMBL557992

SCHEMBL557992

SCHEMBL557992

CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 1/20 0.60
▸ OPRD1 P41143 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ CCR5 P51681 4/20 0.53
▸ TSHR P16473 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MAOA P21397 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ TAAR1 Q96RJ0 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.48
▸ DPP4 P27487 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ CKS1B P61024 1/20 0.45
▸ SKP1 P63208 1/20 0.45
▸ SKP2 Q13309 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31327719 0.92 TACR1 (0.55) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL10306288 0.88 GPR119 (0.49) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL2270783 0.88 TACR1 (0.61) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL3322074 0.87 TACR1 (0.47) TACR1OPRD1OPRK1CCR5GPR119
SCHEMBL3327426 0.87 TACR1 (0.50) TACR1OPRD1OPRK1CCR5
SCHEMBL1003431 0.87 MEN1 (0.52) TACR1OPRD1OPRK1CCR5
SCHEMBL3151136 0.87 TACR1 (0.47) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL19226428 0.87 TACR1 (0.60) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL17886658 0.87 TACR1 (0.63) TACR1OPRD1OPRK1CCR5TSHR
SCHEMBL31417247 0.86 TACR1 (0.48) TACR1OPRD1OPRK1CCR5TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084063-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-03-13 — — US disclosed
US-20250084087-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION 2025-03-13 — — US disclosed
WO-2025042730-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION (US) 2025-02-27 — — WO disclosed
WO-2025042736-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS INCYTE CORPORATION (US) 2025-02-27 — — WO disclosed
EP-3753941-B1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) 2024-05-01 — — EP disclosed
CN-115448923-B Pyrimidine-fused ring compound, preparation method and application thereof 上海青煜医药科技有限公司 2024-03-22 — — CN disclosed
CN-114127053-B Substituted pyrazine compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-06-13 — — CN disclosed
CN-115448923-A Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-12-09 — — CN disclosed
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 — — US disclosed
CN-110156786-B Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-06-03 — — CN disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 — — US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 — — US disclosed
WO-2009050248-A1 SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 — — WO disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 — — WO disclosed
WO-2008124757-A1 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-16 — — WO disclosed
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents DINNELL KEVIN (GB) 2001-11-08 — — US disclosed
US-5885999-A TREATMENT OR PREVENTION OF PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA MERCK SHARP & DOHME LTD. (GB) 1999-03-23 — — US disclosed
US-5661162-A 4-aminomethyl/thiomethyl/sulfonylmethyl-4-phenylpiperdines as tachykinin receptor antagonists MERCK SHARP & DOHME LIMITED (GB) 1997-08-26 — — US disclosed
EP-0673367-A1 4-AMINOMETHYL/THIOMETHYL/SULFONYLMETHYL-4-PHENYLPIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1995-09-27 — — EP disclosed
WO-1994013639-A1 4-AMINOMETHYL/THIOMETHYL/SULFONYLMETHYL-4-PHENYLPIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-06-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF TACR1 1175/4885OPRD1 4841/4885OPRK1 4832/4885
US-20250084087-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 TACR1 263/4885OPRD1 308/4885OPRK1 300/4885
US-20250084063-A1 BICYCLIC HETEROCYCLES AS MRGPRX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 TACR1 263/4885OPRD1 308/4885OPRK1 300/4885
US-20010039286-A1 2-aryl indole derivatives and their use as therapeutic agents IDO1, IDO2, CNR2 TACR1 1285/4885OPRD1 4/4885OPRK1 5/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.